Merge branch release-2018

[alexxy/gromacs.git] / src / gromacs / mdlib / mdebin.cpp

diff --git a/src/gromacs/mdlib/mdebin.cpp b/src/gromacs/mdlib/mdebin.cpp
index 59ed7ad46f06547bba724b5ab9fd4e8d9a4e86e0..ddd39c3925e76981e03f9aef2079a7d7e0746d17 100644 (file)
--- a/src/gromacs/mdlib/mdebin.cpp
+++ b/src/gromacs/mdlib/mdebin.cpp
@@ -268,7 +268,8 @@ t_mdebin *init_mdebin(ener_file_t       fp_ene,
         }
         else if (i == F_COM_PULL)
         {
-            md->bEner[i] = (ir->bPull && pull_have_potential(ir->pull_work));
+            md->bEner[i] = ((ir->bPull && pull_have_potential(ir->pull_work)) ||
+                            ir->bRot);
         }
         else if (i == F_ECONSERVED)
         {